3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine

C9H17N5 — CID 130948333

IUPAC3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
SMILESCn1nncc1CNC1CCC(N)C1
InChIInChI=1S/C9H17N5/c1-14-9(6-12-13-14)5-11-8-3-2-7(10)4-8/h6-8,11H,2-5,10H2,1H3
InChIKeyRDPXAHAEFXLOSC-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.22
Rot. Bonds3

About 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine

3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine (PubChem CID 130948333) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
PubChem CID130948333
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
SMILESCn1nncc1CNC1CCC(N)C1
InChIInChI=1S/C9H17N5/c1-14-9(6-12-13-14)5-11-8-3-2-7(10)4-8/h6-8,11H,2-5,10H2,1H3
InChIKeyRDPXAHAEFXLOSC-UHFFFAOYSA-N
XLogP-0.22
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine (CID 130948333) is 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine is Cn1nncc1CNC1CCC(N)C1.
What is the InChIKey of 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine?
The InChIKey is RDPXAHAEFXLOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14-9(6-12-13-14)5-11-8-3-2-7(10)4-8/h6-8,11H,2-5,10H2,1H3.
What are the key properties of 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine?
3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 130948333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).