1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride

C6H12Cl2N4 — CID 139026713

IUPAC1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C6H10N4.2ClH/c7-6(1-2-6)3-5-8-4-9-10-5;;/h4H,1-3,7H2,(H,8,9,10);2*1H
InChIKeyXVHBSODIVIBCIM-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.68
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride

1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride (PubChem CID 139026713) has the molecular formula C6H12Cl2N4 and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride
PubChem CID139026713
Molecular FormulaC6H12Cl2N4
Molecular Weight211.10 g/mol
Exact Mass210.04
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride
SMILESCl.Cl.NC1(Cc2ncn[nH]2)CC1
InChIInChI=1S/C6H10N4.2ClH/c7-6(1-2-6)3-5-8-4-9-10-5;;/h4H,1-3,7H2,(H,8,9,10);2*1H
InChIKeyXVHBSODIVIBCIM-UHFFFAOYSA-N
XLogP0.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
CID 130987503
[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine
CID 81167530
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
1-(1H-1,2,4-triazol-5-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 86744431
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
CID 70401315
2-(1H-1,2,4-triazol-5-yl)ethanethioamide
CID 131121035
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
CID 67831911
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
CID 130554368
5-[(4-phenyl-1,3-dioxolan-4-yl)methyl]-1H-1,2,4-triazole
CID 67832996
5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
CID 140766762
1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
CID 124907982

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride (CID 139026713) is 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride is Cl.Cl.NC1(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride?
The InChIKey is XVHBSODIVIBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.2ClH/c7-6(1-2-6)3-5-8-4-9-10-5;;/h4H,1-3,7H2,(H,8,9,10);2*1H.
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride?
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride has a molecular weight of 211.10 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 139026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).