N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine

C16H20N4 — CID 103838747

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
SMILESc1ccc(-n2ncc(CNCC3(C4CC4)CC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-2-4-15(5-3-1)20-18-11-14(19-20)10-17-12-16(8-9-16)13-6-7-13/h1-5,11,13,17H,6-10,12H2
InChIKeyUNJLVTYNDUSOIZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.55
Rot. Bonds6

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine (PubChem CID 103838747) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
PubChem CID103838747
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
SMILESc1ccc(-n2ncc(CNCC3(C4CC4)CC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-2-4-15(5-3-1)20-18-11-14(19-20)10-17-12-16(8-9-16)13-6-7-13/h1-5,11,13,17H,6-10,12H2
InChIKeyUNJLVTYNDUSOIZ-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
2-(oxan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103992948
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 79353260
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103953751
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine (CID 103838747) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine is c1ccc(-n2ncc(CNCC3(C4CC4)CC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is UNJLVTYNDUSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-4-15(5-3-1)20-18-11-14(19-20)10-17-12-16(8-9-16)13-6-7-13/h1-5,11,13,17H,6-10,12H2.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 103838747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).