1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine

C7H14N6 — CID 63758915

IUPAC1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
SMILESCn1nnnc1NCC(N)C1CC1
InChIInChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-4-6(8)5-2-3-5/h5-6H,2-4,8H2,1H3,(H,9,10,12)
InChIKeyPSRKOEZFVQJALZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.64
Rot. Bonds4

About 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine

1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine (PubChem CID 63758915) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
PubChem CID63758915
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
SMILESCn1nnnc1NCC(N)C1CC1
InChIInChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-4-6(8)5-2-3-5/h5-6H,2-4,8H2,1H3,(H,9,10,12)
InChIKeyPSRKOEZFVQJALZ-UHFFFAOYSA-N
XLogP-0.64
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine (CID 63758915) is 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine is Cn1nnnc1NCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine?
The InChIKey is PSRKOEZFVQJALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-13-7(10-11-12-13)9-4-6(8)5-2-3-5/h5-6H,2-4,8H2,1H3,(H,9,10,12).
What are the key properties of 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine has a molecular weight of 182.23 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 63758915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).