N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine

C8H16N4 — CID 90780669

IUPACN,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)N(c1ncn[nH]1)C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)12(7(3)4)8-9-5-10-11-8/h5-7H,1-4H3,(H,9,10,11)
InChIKeyCRZVOKPTWQVSPP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds3

About N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine

N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 90780669) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine
PubChem CID90780669
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)N(c1ncn[nH]1)C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)12(7(3)4)8-9-5-10-11-8/h5-7H,1-4H3,(H,9,10,11)
InChIKeyCRZVOKPTWQVSPP-UHFFFAOYSA-N
XLogP1.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,2,4]Triazolyl azetidine
CID 139216617
1-ethyl-1-(1H-1,2,4-triazol-5-yl)hydrazine
CID 72950781
3-N,3-N,5-N,5-N-tetraethyl-1H-1,2,4-triazole-3,5-diamine
CID 18342161
tetrabutylammonium 1H-1,2,4-triazole
CID 18956510
1,4-dimethyl-1-[2-(4-methyl-1H-1,2,4-triazole-2,4-diium-2-yl)ethyl]-4-propan-2-ylpiperazine-1,4-diium
CID 20689014
1,4-dimethyl-1-[3-(4-methyl-1H-1,2,4-triazole-2,4-diium-2-yl)propyl]-4-propan-2-ylpiperazine-1,4-diium
CID 20689017
2-[2-[2-(1,4-dimethyl-4-propan-2-ylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-2,4-diium-4-yl]ethanamine
CID 20689023
N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 20738483
5-pyrrolidin-1-yl-1H-1,2,4-triazole
CID 21799201
N-methyl-2-propan-2-yl-1H-1,2,4-triazole-2,4-diium-4-amine
CID 57641366
2-propan-2-yl-1H-1,2,4-triazol-2-ium
CID 58473782
3-N,5-N,5-N-triethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 59882788

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine (CID 90780669) is N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine is CC(C)N(c1ncn[nH]1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is CRZVOKPTWQVSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12(7(3)4)8-9-5-10-11-8/h5-7H,1-4H3,(H,9,10,11).
What are the key properties of N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine?
N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 168.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 90780669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).