1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine

C7H10N8 — CID 79542293

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C7H10N8/c8-6-3-14(12-9-6)4-7-10-11-13-15(7)5-1-2-5/h3,5H,1-2,4,8H2
InChIKeyMJWMPZUHWGZJPD-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.77
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine

1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine (PubChem CID 79542293) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine
PubChem CID79542293
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C7H10N8/c8-6-3-14(12-9-6)4-7-10-11-13-15(7)5-1-2-5/h3,5H,1-2,4,8H2
InChIKeyMJWMPZUHWGZJPD-UHFFFAOYSA-N
XLogP-0.77
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine (CID 79542293) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine is Nc1cn(Cc2nnnn2C2CC2)nn1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine?
The InChIKey is MJWMPZUHWGZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N8/c8-6-3-14(12-9-6)4-7-10-11-13-15(7)5-1-2-5/h3,5H,1-2,4,8H2.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine?
1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine has a molecular weight of 206.21 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).