(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine

C14H18N4 — CID 107005033

IUPAC(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCC1(C)CC1C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-14(2)8-11(14)13(15)12-9-16-17-18(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8,15H2,1-2H3
InChIKeyIZJAKHCFAPITDV-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.31
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine

(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 107005033) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID107005033
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCC1(C)CC1C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H18N4/c1-14(2)8-11(14)13(15)12-9-16-17-18(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8,15H2,1-2H3
InChIKeyIZJAKHCFAPITDV-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379
[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
CID 114689286

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine (CID 107005033) is (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine is CC1(C)CC1C(N)c1cnnn1-c1ccccc1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is IZJAKHCFAPITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2)8-11(14)13(15)12-9-16-17-18(12)10-6-4-3-5-7-10/h3-7,9,11,13H,8,15H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine?
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 107005033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).