N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine

C6H10N8 — CID 164651689

IUPACN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine
SMILESCc1nc(CCNc2nn[nH]n2)n[nH]1
InChIInChI=1S/C6H10N8/c1-4-8-5(10-9-4)2-3-7-6-11-13-14-12-6/h2-3H2,1H3,(H,8,9,10)(H2,7,11,12,13,14)
InChIKeyHCMFATSMBMZYPC-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.72
Rot. Bonds4

About N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine

N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine (PubChem CID 164651689) has the molecular formula C6H10N8 and a molecular weight of 194.20 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine
PubChem CID164651689
Molecular FormulaC6H10N8
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine
SMILESCc1nc(CCNc2nn[nH]n2)n[nH]1
InChIInChI=1S/C6H10N8/c1-4-8-5(10-9-4)2-3-7-6-11-13-14-12-6/h2-3H2,1H3,(H,8,9,10)(H2,7,11,12,13,14)
InChIKeyHCMFATSMBMZYPC-UHFFFAOYSA-N
XLogP-0.72
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chloroethyl)-5-methyl-1H-1,2,4-triazole;hydrochloride
CID 146155711
2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 162628237
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 103991490
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 103991470
N-(2-thiophen-3-ylethyl)-2H-tetrazol-5-amine
CID 164652701
N-(2-methylpropyl)-2H-tetrazol-5-amine
CID 82667932
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103991484
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 144769727
3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid;hydrate
CID 75531250
N-(2-methylbutan-2-yl)-2H-tetrazol-5-amine
CID 164660645
4-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 61346351
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]aniline
CID 61278325

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine (CID 164651689) is N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine is Cc1nc(CCNc2nn[nH]n2)n[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine?
The InChIKey is HCMFATSMBMZYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8/c1-4-8-5(10-9-4)2-3-7-6-11-13-14-12-6/h2-3H2,1H3,(H,8,9,10)(H2,7,11,12,13,14).
What are the key properties of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine?
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine has a molecular weight of 194.20 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 164651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).