N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C15H26N8 — CID 56780058

IUPACN-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCCCn1nnnc1CNC1CCc2nc(C(C)C)nn2C1
InChIInChI=1S/C15H26N8/c1-4-5-8-22-14(18-20-21-22)9-16-12-6-7-13-17-15(11(2)3)19-23(13)10-12/h11-12,16H,4-10H2,1-3H3
InChIKeyRVWCOTCEUNEJBQ-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.29
Rot. Bonds7

About N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780058) has the molecular formula C15H26N8 and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780058
Molecular FormulaC15H26N8
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCCCn1nnnc1CNC1CCc2nc(C(C)C)nn2C1
InChIInChI=1S/C15H26N8/c1-4-5-8-22-14(18-20-21-22)9-16-12-6-7-13-17-15(11(2)3)19-23(13)10-12/h11-12,16H,4-10H2,1-3H3
InChIKeyRVWCOTCEUNEJBQ-UHFFFAOYSA-N
XLogP1.29
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71695324
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71695325
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780070
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71921384
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 71921387
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71971827
(2-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}ethyl)amine dihydrochloride
CID 72933636
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
Sdccgsbi-0662600.P001
CID 134789236

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780058) is N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCCCn1nnnc1CNC1CCc2nc(C(C)C)nn2C1.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is RVWCOTCEUNEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N8/c1-4-5-8-22-14(18-20-21-22)9-16-12-6-7-13-17-15(11(2)3)19-23(13)10-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 318.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).